============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 2 0.840 18.258 -1.507 -7.498 -99.200 -91.000 PHE 10 1.000 5.609 -4.471 2.576 -99.200 -91.000 TRP 12 1.040 -1.646 -2.797 8.053 -99.200 -91.000 TRP6 12 1.020 -2.323 -1.884 5.988 -99.200 -91.000 HIS 21 0.900 -7.560 14.501 -1.149 -99.200 -91.000 PHE 30 1.000 10.864 -0.021 2.538 -99.200 -91.000 HIS 45 0.900 -17.827 -7.041 3.707 -99.200 -91.000 PHE 69 1.000 1.226 11.083 0.509 -99.200 -91.000 TYR 82 0.840 -4.749 -9.533 1.692 -99.200 -91.000 HIS 88 0.900 -6.967 -2.687 9.661 -99.200 -91.000 TRP 90 1.040 -12.402 2.556 4.760 -99.200 -91.000 TRP6 90 1.020 -13.088 3.319 6.883 -99.200 -91.000 PHE 91 1.000 -17.238 1.310 7.827 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gg1A8 THR 303 H 0.04 0.12 0.01 -0.55 8.28 7.90 2gg1A8 THR 303 HA -0.04 -0.00 0.14 -0.75 4.39 3.73 2gg1A8 THR 303 HB -0.01 0.00 0.03 -0.04 4.32 4.30 2gg1A8 THR 303 HG23 0.02 -0.02 0.03 -0.04 1.22 1.21 2gg1A8 TYR 304 H 0.24 0.11 0.06 -0.55 8.29 8.15 2gg1A8 TYR 304 HA 0.06 0.12 0.48 -0.75 4.56 4.46 2gg1A8 TYR 304 HB2 0.03 0.18 0.02 -0.04 3.06 3.24 2gg1A8 TYR 304 HB3 0.03 -0.05 0.03 -0.04 2.98 2.95 2gg1A8 TYR 304 HD2 0.01 0.00 0.01 -0.04 7.15 7.13 2gg1A8 TYR 304 HE2 0.01 -0.00 0.01 -0.04 6.85 6.82 2gg1A8 THR 305 H 0.11 0.27 0.27 -0.55 8.28 8.38 2gg1A8 THR 305 HA 0.00 0.07 0.42 -0.75 4.39 4.13 2gg1A8 THR 305 HB -0.12 0.23 -0.33 -0.04 4.32 4.06 2gg1A8 THR 305 HG23 0.01 0.12 -0.35 -0.04 1.22 0.95 2gg1A8 VAL 306 H 0.01 0.15 0.12 -0.55 8.24 7.97 2gg1A8 VAL 306 HA 0.02 0.26 0.87 -0.75 4.13 4.52 2gg1A8 VAL 306 HB 0.02 -0.06 0.18 -0.04 2.12 2.22 2gg1A8 VAL 306 HG13 0.03 0.05 -0.03 -0.04 0.97 0.98 2gg1A8 VAL 306 HG23 0.01 0.00 0.08 -0.04 0.95 1.00 2gg1A8 CYS 307 H 0.06 0.21 0.16 -0.55 8.50 8.38 2gg1A8 CYS 307 HA 0.14 0.05 0.19 -0.75 4.58 4.20 2gg1A8 CYS 307 HB2 0.38 0.00 -0.13 -0.04 2.97 3.18 2gg1A8 CYS 307 HB3 0.29 0.04 0.01 -0.04 2.97 3.27 2gg1A8 ASP 308 H 0.09 0.08 0.16 -0.55 8.40 8.18 2gg1A8 ASP 308 HA 0.01 0.10 0.34 -0.75 4.63 4.34 2gg1A8 ASP 308 HB2 -0.01 0.10 0.15 -0.04 2.71 2.91 2gg1A8 ASP 308 HB3 -0.06 -0.05 0.15 -0.04 2.70 2.70 2gg1A8 LYS 309 H -0.01 0.21 0.23 -0.55 8.42 8.29 2gg1A8 LYS 309 HA 0.08 0.11 0.43 -0.75 4.32 4.18 2gg1A8 LYS 309 HB2 0.01 -0.11 0.14 -0.04 1.87 1.88 2gg1A8 LYS 309 HB3 0.04 0.09 0.19 -0.04 1.79 2.07 2gg1A8 LYS 309 HG2 -0.05 -0.11 0.11 -0.04 1.46 1.36 2gg1A8 LYS 309 HG3 -0.08 0.07 -0.09 -0.04 1.46 1.32 2gg1A8 LYS 309 HD2 0.01 0.04 -0.02 -0.04 1.69 1.68 2gg1A8 LYS 309 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2gg1A8 LYS 309 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 2gg1A8 LYS 309 HE3 -0.00 0.04 -0.01 -0.04 2.99 2.98 2gg1A8 THR 310 H -0.28 0.02 -0.52 -0.55 8.28 6.96 2gg1A8 THR 310 HA -0.26 0.24 0.66 -0.75 4.39 4.28 2gg1A8 THR 310 HB -0.11 -0.05 -0.03 -0.04 4.32 4.10 2gg1A8 THR 310 HG23 -0.11 -0.01 -0.12 -0.04 1.22 0.94 2gg1A8 LYS 311 H -0.61 0.55 -0.01 -0.55 8.42 7.80 2gg1A8 LYS 311 HA -0.12 0.06 0.44 -0.75 4.32 3.95 2gg1A8 LYS 311 HB2 -0.02 0.08 0.05 -0.04 1.87 1.93 2gg1A8 LYS 311 HB3 0.13 -0.15 0.06 -0.04 1.79 1.78 2gg1A8 LYS 311 HG2 -0.12 -0.01 0.12 -0.04 1.46 1.40 2gg1A8 LYS 311 HG3 0.07 -0.11 0.09 -0.04 1.46 1.47 2gg1A8 LYS 311 HD2 -0.07 0.08 -0.02 -0.04 1.69 1.63 2gg1A8 LYS 311 HD3 -0.04 -0.00 0.03 -0.04 1.68 1.63 2gg1A8 LYS 311 HE2 -0.06 -0.22 0.07 -0.04 2.99 2.74 2gg1A8 LYS 311 HE3 -0.05 0.01 0.06 -0.04 2.99 2.96 2gg1A8 PHE 312 H -1.19 0.07 -0.25 -0.55 8.34 6.41 2gg1A8 PHE 312 HA 0.04 0.43 0.72 -0.75 4.62 5.06 2gg1A8 PHE 312 HB2 -0.23 -0.02 0.00 -0.04 3.15 2.86 2gg1A8 PHE 312 HB3 -0.12 -0.09 -0.17 -0.04 3.06 2.64 2gg1A8 PHE 312 HD2 -0.18 -0.05 -0.15 -0.04 7.28 6.86 2gg1A8 PHE 312 HE2 -0.09 0.13 -0.18 -0.04 7.38 7.21 2gg1A8 PHE 312 HZ -0.06 0.01 -0.26 -0.04 7.32 6.98 2gg1A8 THR 313 H 0.05 0.15 0.33 -0.55 8.28 8.26 2gg1A8 THR 313 HA -0.13 0.12 0.51 -0.75 4.39 4.13 2gg1A8 THR 313 HB 0.01 0.21 -0.17 -0.04 4.32 4.33 2gg1A8 THR 313 HG23 0.05 0.03 -0.20 -0.04 1.22 1.06 2gg1A8 TRP 314 H 0.11 0.21 0.10 -0.55 7.97 7.85 2gg1A8 TRP 314 HA -0.00 0.14 0.68 -0.75 4.62 4.68 2gg1A8 TRP 314 HB2 -0.01 0.03 0.18 -0.04 3.23 3.39 2gg1A8 TRP 314 HB3 -0.07 -0.03 -0.09 -0.04 3.23 3.01 2gg1A8 TRP 314 HD1 0.05 0.03 0.07 -0.04 7.22 7.33 2gg1A8 TRP 314 HE1 0.04 -0.02 0.11 -0.04 10.20 10.30 2gg1A8 TRP 314 HE3 -0.06 0.17 -0.24 -0.04 7.59 7.41 2gg1A8 TRP 314 HZ2 -0.01 -0.01 -0.27 -0.04 7.44 7.10 2gg1A8 TRP 314 HZ3 -0.05 -0.02 -0.10 -0.04 7.13 6.92 2gg1A8 TRP 314 HH2 -0.00 -0.02 -0.19 -0.04 7.19 6.94 2gg1A8 LYS 315 H 0.12 0.29 0.37 -0.55 8.42 8.64 2gg1A8 LYS 315 HA 0.09 0.09 0.67 -0.75 4.32 4.41 2gg1A8 LYS 315 HB2 0.06 -0.08 -0.09 -0.04 1.87 1.72 2gg1A8 LYS 315 HB3 0.08 0.01 -0.21 -0.04 1.79 1.62 2gg1A8 LYS 315 HG2 0.05 0.00 -0.12 -0.04 1.46 1.35 2gg1A8 LYS 315 HG3 0.05 0.01 0.02 -0.04 1.46 1.50 2gg1A8 LYS 315 HD2 0.05 0.01 -0.11 -0.04 1.69 1.60 2gg1A8 LYS 315 HD3 0.05 -0.04 -0.14 -0.04 1.68 1.51 2gg1A8 LYS 315 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 2gg1A8 LYS 315 HE3 0.05 0.01 -0.05 -0.04 2.99 2.96 2gg1A8 ARG 316 H 0.19 0.74 0.23 -0.55 8.46 9.07 2gg1A8 ARG 316 HA -0.01 0.07 0.27 -0.75 4.34 3.92 2gg1A8 ARG 316 HB2 -0.01 0.14 -0.00 -0.04 1.90 1.99 2gg1A8 ARG 316 HB3 0.01 -0.13 0.02 -0.04 1.80 1.66 2gg1A8 ARG 316 HG2 -0.14 0.25 -0.16 -0.04 1.67 1.58 2gg1A8 ARG 316 HG3 -0.11 -0.02 0.07 -0.04 1.67 1.57 2gg1A8 ARG 316 HD2 -0.07 -0.00 -0.03 -0.04 3.22 3.08 2gg1A8 ARG 316 HD3 -0.08 -0.05 -0.09 -0.04 3.22 2.96 2gg1A8 ALA 317 H -0.28 0.13 0.07 -0.55 8.40 7.77 2gg1A8 ALA 317 HA -0.73 0.05 0.42 -0.75 4.34 3.33 2gg1A8 ALA 317 HB3 -1.16 0.02 0.08 -0.04 1.41 0.31 2gg1A8 PRO 318 HA -0.14 0.14 0.38 -0.51 4.44 4.31 2gg1A8 PRO 318 HB2 -0.10 0.01 -0.03 -0.04 2.28 2.12 2gg1A8 PRO 318 HB3 -0.01 -0.04 -0.04 -0.04 2.02 1.89 2gg1A8 PRO 318 HG2 -0.09 0.14 -0.02 -0.04 2.03 2.03 2gg1A8 PRO 318 HG3 -0.01 -0.15 0.15 -0.04 2.03 1.97 2gg1A8 PRO 318 HD2 -1.00 0.05 0.20 -0.04 3.68 2.89 2gg1A8 PRO 318 HD3 -0.20 0.08 0.13 -0.04 3.65 3.62 2gg1A8 THR 319 H -0.28 1.03 0.49 -0.55 8.28 8.97 2gg1A8 THR 319 HA -1.02 0.09 0.91 -0.75 4.39 3.61 2gg1A8 THR 319 HB -0.25 -0.01 0.05 -0.04 4.32 4.08 2gg1A8 THR 319 HG23 -0.28 0.01 -0.09 -0.04 1.22 0.82 2gg1A8 ASP 320 H -0.51 0.16 0.19 -0.55 8.40 7.69 2gg1A8 ASP 320 HA -0.05 0.11 0.64 -0.75 4.63 4.58 2gg1A8 ASP 320 HB2 -0.03 0.01 0.18 -0.04 2.71 2.82 2gg1A8 ASP 320 HB3 0.03 0.01 0.13 -0.04 2.70 2.83 2gg1A8 SER 321 H -0.02 0.70 0.29 -0.55 8.46 8.89 2gg1A8 SER 321 HA -0.10 0.17 0.25 -0.75 4.49 4.05 2gg1A8 SER 321 HB2 0.18 0.08 0.05 -0.04 3.95 4.22 2gg1A8 SER 321 HB3 0.06 0.03 -0.26 -0.04 3.93 3.73 2gg1A8 GLY 322 H -0.10 0.13 -1.02 -0.55 8.43 6.89 2gg1A8 GLY 322 HA2 -0.09 0.03 0.26 -0.51 4.01 3.70 2gg1A8 GLY 322 HA3 -0.22 0.17 0.55 -0.51 4.01 4.00 2gg1A8 HIS 323 H -0.17 -0.02 -0.99 -0.55 8.41 6.69 2gg1A8 HIS 323 HA -0.01 0.15 0.28 -0.75 4.63 4.30 2gg1A8 HIS 323 HB2 -0.00 -0.11 0.01 -0.04 3.26 3.11 2gg1A8 HIS 323 HB3 -0.00 0.04 -0.02 -0.04 3.20 3.17 2gg1A8 HIS 323 HD2 -0.02 0.00 -0.04 -0.04 6.97 6.87 2gg1A8 HIS 323 HE1 -0.08 -0.02 -0.00 -0.04 7.75 7.60 2gg1A8 ASP 324 H 0.06 -0.20 -0.10 -0.55 8.40 7.62 2gg1A8 ASP 324 HA 0.05 0.08 0.33 -0.75 4.63 4.33 2gg1A8 ASP 324 HB2 0.04 -0.02 0.14 -0.04 2.71 2.83 2gg1A8 ASP 324 HB3 0.06 0.43 0.13 -0.04 2.70 3.28 2gg1A8 THR 325 H 0.07 -0.15 0.20 -0.55 8.28 7.85 2gg1A8 THR 325 HA 0.07 0.25 0.81 -0.75 4.39 4.77 2gg1A8 THR 325 HB 0.07 0.00 0.11 -0.04 4.32 4.46 2gg1A8 THR 325 HG23 0.05 0.03 -0.29 -0.04 1.22 0.97 2gg1A8 VAL 326 H 0.06 0.47 0.34 -0.55 8.24 8.56 2gg1A8 VAL 326 HA -0.01 -0.03 1.13 -0.75 4.13 4.47 2gg1A8 VAL 326 HB 0.05 0.01 -0.06 -0.04 2.12 2.07 2gg1A8 VAL 326 HG13 -0.07 -0.01 -0.32 -0.04 0.97 0.53 2gg1A8 VAL 326 HG23 0.14 0.02 -0.17 -0.04 0.95 0.89 2gg1A8 VAL 327 H -0.08 1.00 0.43 -0.55 8.24 9.04 2gg1A8 VAL 327 HA 0.05 0.43 1.12 -0.75 4.13 4.98 2gg1A8 VAL 327 HB 0.07 -0.01 0.11 -0.04 2.12 2.24 2gg1A8 VAL 327 HG13 0.07 -0.04 -0.19 -0.04 0.97 0.77 2gg1A8 VAL 327 HG23 -0.08 0.08 -0.10 -0.04 0.95 0.82 2gg1A8 MET 328 H 0.07 0.36 0.32 -0.55 8.47 8.67 2gg1A8 MET 328 HA 0.02 0.24 0.35 -0.75 4.52 4.37 2gg1A8 MET 328 HB2 0.39 0.12 0.01 -0.04 2.15 2.63 2gg1A8 MET 328 HB3 0.14 -0.05 -0.16 -0.04 2.03 1.91 2gg1A8 MET 328 HG2 0.09 -0.07 -0.12 -0.04 2.63 2.50 2gg1A8 MET 328 HG3 0.10 0.02 -0.41 -0.04 2.56 2.24 2gg1A8 MET 328 HE3 -0.08 -0.00 -0.20 -0.04 2.10 1.79 2gg1A8 GLU 329 H 0.14 0.81 0.23 -0.55 8.60 9.24 2gg1A8 GLU 329 HA 0.07 0.60 1.16 -0.75 4.29 5.37 2gg1A8 GLU 329 HB2 0.07 -0.01 -0.16 -0.04 2.09 1.95 2gg1A8 GLU 329 HB3 0.07 -0.11 0.02 -0.04 1.99 1.93 2gg1A8 GLU 329 HG2 0.06 -0.05 -0.17 -0.04 2.34 2.14 2gg1A8 GLU 329 HG3 0.10 0.03 -0.23 -0.04 2.34 2.20 2gg1A8 VAL 330 H -0.02 0.53 0.28 -0.55 8.24 8.48 2gg1A8 VAL 330 HA -0.05 0.19 1.23 -0.75 4.13 4.74 2gg1A8 VAL 330 HB -0.29 -0.01 0.02 -0.04 2.12 1.80 2gg1A8 VAL 330 HG13 -0.38 0.01 -0.25 -0.04 0.97 0.31 2gg1A8 VAL 330 HG23 -0.25 -0.01 -0.04 -0.04 0.95 0.62 2gg1A8 GLY 331 H 0.00 0.53 0.38 -0.55 8.43 8.79 2gg1A8 GLY 331 HA2 0.09 0.07 1.14 -0.51 4.01 4.80 2gg1A8 GLY 331 HA3 0.08 0.12 0.30 -0.51 4.01 4.00 2gg1A8 PHE 332 H 0.37 0.22 0.26 -0.55 8.34 8.64 2gg1A8 PHE 332 HA 0.03 0.34 0.50 -0.75 4.62 4.74 2gg1A8 PHE 332 HB2 0.08 0.01 -0.23 -0.04 3.15 2.98 2gg1A8 PHE 332 HB3 0.19 -0.09 -0.39 -0.04 3.06 2.73 2gg1A8 PHE 332 HD2 0.07 -0.08 -0.08 -0.04 7.28 7.16 2gg1A8 PHE 332 HE2 0.04 0.09 -0.35 -0.04 7.38 7.12 2gg1A8 PHE 332 HZ 0.03 0.15 -0.63 -0.04 7.32 6.83 2gg1A8 SER 333 H -0.17 0.14 0.03 -0.55 8.46 7.90 2gg1A8 SER 333 HA -0.31 0.27 0.65 -0.75 4.49 4.35 2gg1A8 SER 333 HB2 -0.08 -0.03 0.04 -0.04 3.95 3.84 2gg1A8 SER 333 HB3 -0.09 0.03 0.15 -0.04 3.93 3.98 2gg1A8 GLY 334 H -0.73 0.04 -0.00 -0.55 8.43 7.19 2gg1A8 GLY 334 HA2 -0.17 0.22 0.57 -0.51 4.01 4.12 2gg1A8 GLY 334 HA3 -0.17 -0.05 0.37 -0.51 4.01 3.66 2gg1A8 THR 335 H -0.21 -0.00 0.10 -0.55 8.28 7.62 2gg1A8 THR 335 HA 0.01 -0.00 0.41 -0.75 4.39 4.06 2gg1A8 THR 335 HB 0.62 -0.06 0.01 -0.04 4.32 4.84 2gg1A8 THR 335 HG23 0.21 0.17 -0.07 -0.04 1.22 1.50 2gg1A8 ARG 336 H 0.10 0.02 -0.01 -0.55 8.46 8.00 2gg1A8 ARG 336 HA 0.07 0.17 0.64 -0.75 4.34 4.46 2gg1A8 ARG 336 HB2 0.04 -0.00 0.13 -0.04 1.90 2.03 2gg1A8 ARG 336 HB3 0.04 0.00 0.06 -0.04 1.80 1.86 2gg1A8 ARG 336 HG2 0.17 -0.11 -0.06 -0.04 1.67 1.63 2gg1A8 ARG 336 HG3 0.09 0.14 -0.24 -0.04 1.67 1.62 2gg1A8 ARG 336 HD2 -0.01 0.00 0.03 -0.04 3.22 3.20 2gg1A8 ARG 336 HD3 0.05 -0.02 0.02 -0.04 3.22 3.22 2gg1A8 PRO 337 HA 0.09 0.24 0.45 -0.51 4.44 4.71 2gg1A8 PRO 337 HB2 0.02 -0.00 0.16 -0.04 2.28 2.41 2gg1A8 PRO 337 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 2gg1A8 PRO 337 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 2gg1A8 PRO 337 HG3 0.03 -0.02 0.13 -0.04 2.03 2.13 2gg1A8 PRO 337 HD2 0.05 0.07 0.20 -0.04 3.68 3.96 2gg1A8 PRO 337 HD3 0.09 -0.01 0.21 -0.04 3.65 3.90 2gg1A8 CYS 338 H 0.03 0.10 0.29 -0.55 8.50 8.38 2gg1A8 CYS 338 HA 0.10 0.09 0.85 -0.75 4.58 4.87 2gg1A8 CYS 338 HB2 0.09 0.18 0.29 -0.04 2.97 3.48 2gg1A8 CYS 338 HB3 0.22 0.20 0.02 -0.04 2.97 3.37 2gg1A8 ARG 339 H 0.02 0.54 0.29 -0.55 8.46 8.76 2gg1A8 ARG 339 HA -0.04 0.28 0.98 -0.75 4.34 4.80 2gg1A8 ARG 339 HB2 0.01 -0.12 0.07 -0.04 1.90 1.81 2gg1A8 ARG 339 HB3 -0.01 0.08 0.00 -0.04 1.80 1.83 2gg1A8 ARG 339 HG2 0.04 -0.06 -0.26 -0.04 1.67 1.34 2gg1A8 ARG 339 HG3 0.02 -0.00 -0.10 -0.04 1.67 1.55 2gg1A8 ARG 339 HD2 0.00 0.04 -0.08 -0.04 3.22 3.14 2gg1A8 ARG 339 HD3 0.00 0.17 -0.56 -0.04 3.22 2.80 2gg1A8 ILE 340 H -0.11 0.49 0.11 -0.55 8.25 8.18 2gg1A8 ILE 340 HA -0.19 0.05 0.21 -0.75 4.18 3.49 2gg1A8 ILE 340 HB -0.31 -0.06 -0.28 -0.04 1.89 1.20 2gg1A8 ILE 340 HG12 -0.44 0.00 -0.41 -0.04 1.49 0.60 2gg1A8 ILE 340 HG13 -0.75 -0.02 -0.19 -0.04 1.21 0.21 2gg1A8 ILE 340 HG23 -0.18 0.09 -0.27 -0.04 0.93 0.52 2gg1A8 ILE 340 HD13 -0.49 -0.01 -0.19 -0.04 0.88 0.16 2gg1A8 PRO 341 HA -0.03 0.15 0.52 -0.51 4.44 4.57 2gg1A8 PRO 341 HB2 0.04 -0.05 0.18 -0.04 2.28 2.41 2gg1A8 PRO 341 HB3 0.03 0.05 0.11 -0.04 2.02 2.16 2gg1A8 PRO 341 HG2 0.13 -0.09 0.01 -0.04 2.03 2.04 2gg1A8 PRO 341 HG3 0.16 0.12 0.06 -0.04 2.03 2.33 2gg1A8 PRO 341 HD2 -0.26 0.01 0.04 -0.04 3.68 3.42 2gg1A8 PRO 341 HD3 0.01 0.22 0.26 -0.04 3.65 4.10 2gg1A8 VAL 342 H -0.06 0.45 0.18 -0.55 8.24 8.25 2gg1A8 VAL 342 HA -0.03 0.27 0.98 -0.75 4.13 4.60 2gg1A8 VAL 342 HB -0.02 -0.02 -0.01 -0.04 2.12 2.03 2gg1A8 VAL 342 HG13 -0.19 -0.03 -0.26 -0.04 0.97 0.46 2gg1A8 VAL 342 HG23 -0.05 0.05 -0.03 -0.04 0.95 0.87 2gg1A8 ARG 343 H 0.09 0.63 0.40 -0.55 8.46 9.02 2gg1A8 ARG 343 HA 0.05 0.09 0.50 -0.75 4.34 4.23 2gg1A8 ARG 343 HB2 0.04 -0.08 0.15 -0.04 1.90 1.98 2gg1A8 ARG 343 HB3 0.03 0.18 -0.16 -0.04 1.80 1.81 2gg1A8 ARG 343 HG2 0.12 0.08 -0.19 -0.04 1.67 1.64 2gg1A8 ARG 343 HG3 0.14 -0.11 -0.30 -0.04 1.67 1.36 2gg1A8 ARG 343 HD2 -0.04 -0.01 -0.10 -0.04 3.22 3.03 2gg1A8 ARG 343 HD3 -0.00 0.03 -0.13 -0.04 3.22 3.07 2gg1A8 ALA 344 H 0.08 0.21 0.24 -0.55 8.40 8.39 2gg1A8 ALA 344 HA 0.21 0.15 0.91 -0.75 4.34 4.86 2gg1A8 ALA 344 HB3 0.12 -0.00 -0.25 -0.04 1.41 1.24 2gg1A8 VAL 345 H 0.21 0.56 0.27 -0.55 8.24 8.73 2gg1A8 VAL 345 HA 0.08 0.23 0.98 -0.75 4.13 4.67 2gg1A8 VAL 345 HB 0.08 0.17 -0.47 -0.04 2.12 1.86 2gg1A8 VAL 345 HG13 0.04 0.01 -0.25 -0.04 0.97 0.73 2gg1A8 VAL 345 HG23 0.24 -0.02 -0.34 -0.04 0.95 0.79 2gg1A8 ALA 346 H 0.08 0.47 0.28 -0.55 8.40 8.68 2gg1A8 ALA 346 HA 0.10 0.19 0.82 -0.75 4.34 4.69 2gg1A8 ALA 346 HB3 0.07 0.02 0.18 -0.04 1.41 1.63 2gg1A8 HIS 347 H 0.12 0.32 -0.06 -0.55 8.41 8.25 2gg1A8 HIS 347 HA 0.03 -0.02 0.21 -0.75 4.63 4.10 2gg1A8 HIS 347 HB2 0.01 -0.03 -0.01 -0.04 3.26 3.19 2gg1A8 HIS 347 HB3 0.02 0.12 -0.08 -0.04 3.20 3.21 2gg1A8 HIS 347 HD2 0.00 0.05 -0.05 -0.04 6.97 6.93 2gg1A8 HIS 347 HE1 -0.06 0.00 -0.02 -0.04 7.75 7.62 2gg1A8 GLY 348 H 0.08 0.03 -0.23 -0.55 8.43 7.77 2gg1A8 GLY 348 HA2 0.14 -0.05 0.11 -0.51 4.01 3.70 2gg1A8 GLY 348 HA3 0.09 0.03 0.36 -0.51 4.01 3.98 2gg1A8 VAL 349 H 0.12 0.19 -0.64 -0.55 8.24 7.37 2gg1A8 VAL 349 HA 0.07 0.17 0.71 -0.75 4.13 4.33 2gg1A8 VAL 349 HB 0.06 0.09 0.16 -0.04 2.12 2.40 2gg1A8 VAL 349 HG13 0.02 -0.06 -0.08 -0.04 0.97 0.82 2gg1A8 VAL 349 HG23 0.06 0.11 -0.14 -0.04 0.95 0.94 2gg1A8 PRO 350 HA 0.01 0.01 0.29 -0.51 4.44 4.24 2gg1A8 PRO 350 HB2 -0.05 0.06 0.16 -0.04 2.28 2.41 2gg1A8 PRO 350 HB3 -0.14 0.02 0.02 -0.04 2.02 1.88 2gg1A8 PRO 350 HG2 -0.02 0.07 -0.02 -0.04 2.03 2.02 2gg1A8 PRO 350 HG3 0.02 -0.01 -0.11 -0.04 2.03 1.89 2gg1A8 PRO 350 HD2 0.03 0.13 0.02 -0.04 3.68 3.82 2gg1A8 PRO 350 HD3 0.08 0.22 -0.11 -0.04 3.65 3.81 2gg1A8 GLU 351 H 0.03 0.55 -0.13 -0.55 8.60 8.50 2gg1A8 GLU 351 HA 0.00 0.21 0.89 -0.75 4.29 4.64 2gg1A8 GLU 351 HB2 0.01 0.01 -0.04 -0.04 2.09 2.02 2gg1A8 GLU 351 HB3 0.01 -0.02 0.11 -0.04 1.99 2.06 2gg1A8 GLU 351 HG2 0.01 -0.01 -0.19 -0.04 2.34 2.11 2gg1A8 GLU 351 HG3 0.00 0.01 -0.01 -0.04 2.34 2.30 2gg1A8 VAL 352 H 0.02 0.14 0.19 -0.55 8.24 8.04 2gg1A8 VAL 352 HA 0.01 0.20 0.98 -0.75 4.13 4.57 2gg1A8 VAL 352 HB 0.02 0.03 0.03 -0.04 2.12 2.16 2gg1A8 VAL 352 HG13 0.03 -0.02 0.11 -0.04 0.97 1.04 2gg1A8 VAL 352 HG23 0.02 0.03 -0.12 -0.04 0.95 0.84 2gg1A8 ASN 353 H 0.02 0.19 0.09 -0.55 8.53 8.28 2gg1A8 ASN 353 HA 0.04 0.30 0.85 -0.75 4.76 5.20 2gg1A8 ASN 353 HB2 0.02 0.02 0.15 -0.04 2.88 3.03 2gg1A8 ASN 353 HB3 0.02 0.02 0.20 -0.04 2.79 2.98 2gg1A8 ASN 353 HD21 0.03 0.02 -0.10 -0.04 7.03 6.93 2gg1A8 ASN 353 HD22 0.03 0.29 -0.04 -0.04 7.74 7.98 2gg1A8 VAL 354 H 0.07 0.38 0.00 -0.55 8.24 8.14 2gg1A8 VAL 354 HA 0.05 0.22 0.68 -0.75 4.13 4.33 2gg1A8 VAL 354 HB 0.07 0.01 -0.02 -0.04 2.12 2.14 2gg1A8 VAL 354 HG13 0.06 0.05 -0.07 -0.04 0.97 0.98 2gg1A8 VAL 354 HG23 0.10 -0.04 -0.42 -0.04 0.95 0.55 2gg1A8 ALA 355 H 0.06 0.10 -0.20 -0.55 8.40 7.82 2gg1A8 ALA 355 HA 0.07 0.06 0.41 -0.75 4.34 4.12 2gg1A8 ALA 355 HB3 0.06 -0.01 0.03 -0.04 1.41 1.44 2gg1A8 MET 356 H 0.05 0.69 0.24 -0.55 8.47 8.90 2gg1A8 MET 356 HA 0.03 0.12 0.89 -0.75 4.52 4.80 2gg1A8 MET 356 HB2 0.03 -0.03 0.05 -0.04 2.15 2.16 2gg1A8 MET 356 HB3 0.04 0.49 0.30 -0.04 2.03 2.82 2gg1A8 MET 356 HG2 0.03 -0.05 -0.31 -0.04 2.63 2.25 2gg1A8 MET 356 HG3 0.02 -0.00 -0.07 -0.04 2.56 2.47 2gg1A8 MET 356 HE3 0.03 0.02 -0.28 -0.04 2.10 1.84 2gg1A8 LEU 357 H 0.02 0.23 -0.02 -0.55 8.37 8.06 2gg1A8 LEU 357 HA 0.03 0.03 0.39 -0.75 4.35 4.05 2gg1A8 LEU 357 HB2 0.01 -0.03 -0.03 -0.04 1.64 1.55 2gg1A8 LEU 357 HB3 0.01 0.15 -0.33 -0.04 1.64 1.43 2gg1A8 LEU 357 HG 0.02 0.10 -0.13 -0.04 1.64 1.59 2gg1A8 LEU 357 HD13 -0.00 0.02 -0.05 -0.04 0.93 0.85 2gg1A8 LEU 357 HD23 0.03 -0.05 -0.25 -0.04 0.89 0.59 2gg1A8 ILE 358 H 0.03 0.19 -0.12 -0.55 8.25 7.80 2gg1A8 ILE 358 HA 0.02 0.10 0.45 -0.75 4.18 3.99 2gg1A8 ILE 358 HB 0.04 -0.05 -0.09 -0.04 1.89 1.76 2gg1A8 ILE 358 HG12 0.05 -0.07 -0.36 -0.04 1.49 1.06 2gg1A8 ILE 358 HG13 0.05 -0.07 -0.09 -0.04 1.21 1.05 2gg1A8 ILE 358 HG23 0.02 0.00 -0.02 -0.04 0.93 0.89 2gg1A8 ILE 358 HD13 0.04 0.03 -0.20 -0.04 0.88 0.71 2gg1A8 THR 359 H 0.02 0.40 -0.14 -0.55 8.28 8.01 2gg1A8 THR 359 HA -0.00 0.25 0.72 -0.75 4.39 4.60 2gg1A8 THR 359 HB -0.00 -0.22 0.30 -0.04 4.32 4.35 2gg1A8 THR 359 HG23 -0.05 0.02 -0.04 -0.04 1.22 1.11 2gg1A8 PRO 360 HA -0.00 0.04 0.27 -0.51 4.44 4.24 2gg1A8 PRO 360 HB2 -0.00 -0.01 0.20 -0.04 2.28 2.42 2gg1A8 PRO 360 HB3 0.00 0.09 0.11 -0.04 2.02 2.18 2gg1A8 PRO 360 HG2 -0.00 -0.01 -0.05 -0.04 2.03 1.93 2gg1A8 PRO 360 HG3 0.00 0.06 0.01 -0.04 2.03 2.06 2gg1A8 PRO 360 HD2 -0.01 0.06 -0.02 -0.04 3.68 3.68 2gg1A8 PRO 360 HD3 0.00 0.31 -0.36 -0.04 3.65 3.56 2gg1A8 ASN 361 H -0.03 0.09 -0.94 -0.55 8.53 7.11 2gg1A8 ASN 361 HA -0.03 0.10 0.37 -0.75 4.76 4.45 2gg1A8 ASN 361 HB2 -0.02 0.15 -0.03 -0.04 2.88 2.94 2gg1A8 ASN 361 HB3 -0.02 -0.07 0.06 -0.04 2.79 2.72 2gg1A8 ASN 361 HD21 -0.02 0.09 0.13 -0.04 7.03 7.19 2gg1A8 ASN 361 HD22 -0.01 -0.06 0.02 -0.04 7.74 7.65 2gg1A8 PRO 362 HA -0.10 0.11 0.61 -0.51 4.44 4.56 2gg1A8 PRO 362 HB2 -0.14 0.02 0.02 -0.04 2.28 2.14 2gg1A8 PRO 362 HB3 -0.09 0.01 0.14 -0.04 2.02 2.03 2gg1A8 PRO 362 HG2 -0.10 0.03 0.02 -0.04 2.03 1.94 2gg1A8 PRO 362 HG3 -0.06 0.04 0.08 -0.04 2.03 2.04 2gg1A8 PRO 362 HD2 -0.05 0.13 0.14 -0.04 3.68 3.86 2gg1A8 PRO 362 HD3 -0.04 0.21 0.16 -0.04 3.65 3.94 2gg1A8 THR 363 H -0.15 0.27 0.22 -0.55 8.28 8.07 2gg1A8 THR 363 HA -0.13 0.20 0.87 -0.75 4.39 4.58 2gg1A8 THR 363 HB -0.07 -0.15 0.06 -0.04 4.32 4.11 2gg1A8 THR 363 HG23 -0.05 0.11 -0.18 -0.04 1.22 1.05 2gg1A8 MET 364 H -0.14 0.22 0.11 -0.55 8.47 8.12 2gg1A8 MET 364 HA -0.22 0.14 0.43 -0.75 4.52 4.12 2gg1A8 MET 364 HB2 -1.27 -0.00 -0.10 -0.04 2.15 0.74 2gg1A8 MET 364 HB3 -1.38 -0.05 -0.11 -0.04 2.03 0.44 2gg1A8 MET 364 HG2 -0.46 0.21 -0.11 -0.04 2.63 2.24 2gg1A8 MET 364 HG3 -0.50 -0.06 -0.49 -0.04 2.56 1.47 2gg1A8 MET 364 HE3 -0.25 0.01 -0.24 -0.04 2.10 1.57 2gg1A8 GLU 365 H 0.07 0.43 -0.31 -0.55 8.60 8.24 2gg1A8 GLU 365 HA 0.17 0.22 0.83 -0.75 4.29 4.75 2gg1A8 GLU 365 HB2 0.04 0.16 0.08 -0.04 2.09 2.32 2gg1A8 GLU 365 HB3 0.05 -0.14 0.20 -0.04 1.99 2.05 2gg1A8 GLU 365 HG2 0.02 0.03 -0.04 -0.04 2.34 2.30 2gg1A8 GLU 365 HG3 -0.02 -0.07 -0.31 -0.04 2.34 1.91 2gg1A8 ASN 366 H 0.06 0.16 0.15 -0.55 8.53 8.36 2gg1A8 ASN 366 HA -0.00 0.15 0.19 -0.75 4.76 4.34 2gg1A8 ASN 366 HB2 -0.01 0.06 0.10 -0.04 2.88 2.99 2gg1A8 ASN 366 HB3 0.01 0.00 0.13 -0.04 2.79 2.89 2gg1A8 ASN 366 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2gg1A8 ASN 366 HD22 0.00 0.02 0.05 -0.04 7.74 7.77 2gg1A8 ASN 367 H 0.07 0.01 -0.35 -0.55 8.53 7.71 2gg1A8 ASN 367 HA 0.04 0.22 0.90 -0.75 4.76 5.17 2gg1A8 ASN 367 HB2 0.04 0.01 0.00 -0.04 2.88 2.89 2gg1A8 ASN 367 HB3 0.04 -0.00 0.12 -0.04 2.79 2.91 2gg1A8 ASN 367 HD21 0.02 0.03 0.04 -0.04 7.03 7.09 2gg1A8 ASN 367 HD22 0.02 -0.02 -0.03 -0.04 7.74 7.67 2gg1A8 GLY 368 H 0.20 0.43 -0.22 -0.55 8.43 8.29 2gg1A8 GLY 368 HA2 0.51 0.00 0.44 -0.51 4.01 4.44 2gg1A8 GLY 368 HA3 0.15 0.18 1.05 -0.51 4.01 4.88 2gg1A8 GLY 369 H -0.10 0.13 0.18 -0.55 8.43 8.10 2gg1A8 GLY 369 HA2 -0.18 0.00 0.64 -0.51 4.01 3.97 2gg1A8 GLY 369 HA3 -0.20 0.07 0.42 -0.51 4.01 3.79 2gg1A8 GLY 370 H -0.03 0.33 0.00 -0.55 8.43 8.18 2gg1A8 GLY 370 HA2 0.04 0.01 0.28 -0.51 4.01 3.83 2gg1A8 GLY 370 HA3 -0.08 0.15 0.87 -0.51 4.01 4.44 2gg1A8 PHE 371 H -0.31 0.16 0.18 -0.55 8.34 7.83 2gg1A8 PHE 371 HA -0.01 0.39 0.97 -0.75 4.62 5.21 2gg1A8 PHE 371 HB2 -0.01 0.03 0.01 -0.04 3.15 3.15 2gg1A8 PHE 371 HB3 -0.01 -0.03 -0.02 -0.04 3.06 2.96 2gg1A8 PHE 371 HD2 -0.00 -0.02 -0.09 -0.04 7.28 7.13 2gg1A8 PHE 371 HE2 -0.00 -0.00 -0.01 -0.04 7.38 7.33 2gg1A8 PHE 371 HZ -0.00 0.00 0.00 -0.04 7.32 7.28 2gg1A8 ILE 372 H 0.11 0.46 0.41 -0.55 8.25 8.68 2gg1A8 ILE 372 HA -0.02 0.20 0.86 -0.75 4.18 4.46 2gg1A8 ILE 372 HB 0.01 -0.07 -0.08 -0.04 1.89 1.71 2gg1A8 ILE 372 HG12 -0.12 0.13 -0.49 -0.04 1.49 0.97 2gg1A8 ILE 372 HG13 -0.04 0.09 -0.17 -0.04 1.21 1.05 2gg1A8 ILE 372 HG23 -0.04 0.00 0.08 -0.04 0.93 0.93 2gg1A8 ILE 372 HD13 -0.14 -0.01 -0.13 -0.04 0.88 0.56 2gg1A8 GLU 373 H 0.03 0.21 0.19 -0.55 8.60 8.48 2gg1A8 GLU 373 HA 0.07 0.49 1.34 -0.75 4.29 5.44 2gg1A8 GLU 373 HB2 0.06 -0.06 -0.03 -0.04 2.09 2.02 2gg1A8 GLU 373 HB3 0.06 0.00 0.03 -0.04 1.99 2.04 2gg1A8 GLU 373 HG2 0.11 0.09 -0.12 -0.04 2.34 2.38 2gg1A8 GLU 373 HG3 0.17 -0.03 -0.34 -0.04 2.34 2.10 2gg1A8 MET 374 H 0.05 0.87 0.35 -0.55 8.47 9.20 2gg1A8 MET 374 HA 0.05 0.13 0.65 -0.75 4.52 4.59 2gg1A8 MET 374 HB2 0.07 0.01 -0.13 -0.04 2.15 2.06 2gg1A8 MET 374 HB3 0.06 0.04 -0.25 -0.04 2.03 1.84 2gg1A8 MET 374 HG2 0.07 -0.02 -0.27 -0.04 2.63 2.37 2gg1A8 MET 374 HG3 0.09 -0.01 -0.28 -0.04 2.56 2.32 2gg1A8 MET 374 HE3 0.05 0.02 -0.33 -0.04 2.10 1.80 2gg1A8 GLN 375 H 0.06 0.42 0.26 -0.55 8.47 8.66 2gg1A8 GLN 375 HA 0.09 0.00 0.29 -0.75 4.36 3.99 2gg1A8 GLN 375 HB2 0.07 -0.07 0.27 -0.04 2.15 2.37 2gg1A8 GLN 375 HB3 0.05 0.04 -0.11 -0.04 2.02 1.96 2gg1A8 GLN 375 HG2 0.06 0.14 0.17 -0.04 2.40 2.73 2gg1A8 GLN 375 HG3 0.05 0.08 0.01 -0.04 2.39 2.49 2gg1A8 GLN 375 HE21 0.09 -0.06 -0.11 -0.04 6.97 6.85 2gg1A8 GLN 375 HE22 0.07 0.12 -0.12 -0.04 7.69 7.71 2gg1A8 LEU 376 H 0.06 0.37 0.17 -0.55 8.37 8.43 2gg1A8 LEU 376 HA 0.04 0.07 0.35 -0.75 4.35 4.05 2gg1A8 LEU 376 HB2 0.05 0.17 -0.14 -0.04 1.64 1.69 2gg1A8 LEU 376 HB3 0.05 0.04 -0.10 -0.04 1.64 1.59 2gg1A8 LEU 376 HG 0.03 0.05 0.14 -0.04 1.64 1.82 2gg1A8 LEU 376 HD13 0.03 -0.01 0.08 -0.04 0.93 0.99 2gg1A8 LEU 376 HD23 0.04 -0.03 0.01 -0.04 0.89 0.86 2gg1A8 PRO 377 HA 0.03 0.05 0.53 -0.51 4.44 4.54 2gg1A8 PRO 377 HB2 0.02 0.03 0.06 -0.04 2.28 2.35 2gg1A8 PRO 377 HB3 0.02 0.03 0.10 -0.04 2.02 2.13 2gg1A8 PRO 377 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 2gg1A8 PRO 377 HG3 0.02 0.03 0.09 -0.04 2.03 2.14 2gg1A8 PRO 377 HD2 0.03 0.10 0.21 -0.04 3.68 3.97 2gg1A8 PRO 377 HD3 0.03 0.11 0.10 -0.04 3.65 3.85 2gg1A8 PRO 378 HA 0.02 0.09 0.33 -0.51 4.44 4.37 2gg1A8 PRO 378 HB2 0.01 0.00 -0.02 -0.04 2.28 2.24 2gg1A8 PRO 378 HB3 0.02 -0.14 0.14 -0.04 2.02 1.99 2gg1A8 PRO 378 HG2 0.02 0.01 0.08 -0.04 2.03 2.10 2gg1A8 PRO 378 HG3 0.02 0.03 0.09 -0.04 2.03 2.14 2gg1A8 PRO 378 HD2 0.02 0.03 0.27 -0.04 3.68 3.96 2gg1A8 PRO 378 HD3 0.03 0.18 0.20 -0.04 3.65 4.03 2gg1A8 GLY 379 H 0.00 0.60 0.37 -0.55 8.43 8.86 2gg1A8 GLY 379 HA2 0.02 -0.01 0.49 -0.51 4.01 4.00 2gg1A8 GLY 379 HA3 0.03 0.17 0.24 -0.51 4.01 3.94 2gg1A8 ASP 380 H 0.07 0.18 0.19 -0.55 8.40 8.28 2gg1A8 ASP 380 HA -0.04 0.12 1.28 -0.75 4.63 5.24 2gg1A8 ASP 380 HB2 0.15 -0.06 0.21 -0.04 2.71 2.96 2gg1A8 ASP 380 HB3 -0.09 0.07 0.14 -0.04 2.70 2.78 2gg1A8 ASN 381 H 0.03 0.60 0.35 -0.55 8.53 8.97 2gg1A8 ASN 381 HA 0.10 0.17 0.96 -0.75 4.76 5.23 2gg1A8 ASN 381 HB2 0.19 -0.02 -0.10 -0.04 2.88 2.91 2gg1A8 ASN 381 HB3 0.13 -0.02 -0.17 -0.04 2.79 2.69 2gg1A8 ASN 381 HD21 0.08 0.23 -0.32 -0.04 7.03 6.98 2gg1A8 ASN 381 HD22 0.06 0.10 -0.32 -0.04 7.74 7.54 2gg1A8 ILE 382 H 0.13 0.37 0.20 -0.55 8.25 8.41 2gg1A8 ILE 382 HA 0.14 0.27 0.84 -0.75 4.18 4.68 2gg1A8 ILE 382 HB 0.07 -0.16 0.09 -0.04 1.89 1.85 2gg1A8 ILE 382 HG12 0.05 0.16 -0.43 -0.04 1.49 1.23 2gg1A8 ILE 382 HG13 0.00 -0.05 -0.40 -0.04 1.21 0.72 2gg1A8 ILE 382 HG23 0.12 -0.06 -0.07 -0.04 0.93 0.88 2gg1A8 ILE 382 HD13 0.12 -0.02 -0.44 -0.04 0.88 0.50 2gg1A8 ILE 383 H 0.14 0.45 0.20 -0.55 8.25 8.49 2gg1A8 ILE 383 HA 0.21 0.18 0.93 -0.75 4.18 4.74 2gg1A8 ILE 383 HB 0.46 -0.03 0.00 -0.04 1.89 2.29 2gg1A8 ILE 383 HG12 0.14 -0.00 -0.24 -0.04 1.49 1.34 2gg1A8 ILE 383 HG13 0.14 -0.06 -0.12 -0.04 1.21 1.13 2gg1A8 ILE 383 HG23 0.17 0.03 -0.15 -0.04 0.93 0.94 2gg1A8 ILE 383 HD13 0.13 0.01 -0.18 -0.04 0.88 0.80 2gg1A8 TYR 384 H 0.32 0.53 0.24 -0.55 8.29 8.82 2gg1A8 TYR 384 HA 0.22 0.32 0.79 -0.75 4.56 5.14 2gg1A8 TYR 384 HB2 0.09 -0.14 -0.06 -0.04 3.06 2.91 2gg1A8 TYR 384 HB3 0.08 0.07 -0.12 -0.04 2.98 2.97 2gg1A8 TYR 384 HD2 0.10 0.07 -0.16 -0.04 7.15 7.12 2gg1A8 TYR 384 HE2 0.08 -0.03 -0.14 -0.04 6.85 6.72 2gg1A8 VAL 385 H 0.12 0.58 -0.28 -0.55 8.24 8.10 2gg1A8 VAL 385 HA -0.06 0.28 0.91 -0.75 4.13 4.51 2gg1A8 VAL 385 HB -0.33 -0.08 0.08 -0.04 2.12 1.75 2gg1A8 VAL 385 HG13 -0.76 -0.01 -0.20 -0.04 0.97 -0.03 2gg1A8 VAL 385 HG23 -0.36 -0.00 -0.38 -0.04 0.95 0.17 2gg1A8 GLY 386 H 0.10 0.56 0.04 -0.55 8.43 8.58 2gg1A8 GLY 386 HA2 0.14 0.04 0.37 -0.51 4.01 4.04 2gg1A8 GLY 386 HA3 0.27 -0.04 0.69 -0.51 4.01 4.42 2gg1A8 ASP 387 H 0.15 0.16 0.34 -0.55 8.40 8.50 2gg1A8 ASP 387 HA 0.16 0.11 0.63 -0.75 4.63 4.78 2gg1A8 ASP 387 HB2 0.04 -0.12 0.03 -0.04 2.71 2.62 2gg1A8 ASP 387 HB3 0.00 0.17 -0.01 -0.04 2.70 2.82 2gg1A8 LEU 388 H 0.15 0.56 -0.12 -0.55 8.37 8.41 2gg1A8 LEU 388 HA 0.07 0.08 0.48 -0.75 4.35 4.22 2gg1A8 LEU 388 HB2 -0.12 0.28 0.16 -0.04 1.64 1.92 2gg1A8 LEU 388 HB3 -0.47 -0.04 -0.15 -0.04 1.64 0.94 2gg1A8 LEU 388 HG -0.97 -0.03 -0.03 -0.04 1.64 0.57 2gg1A8 LEU 388 HD13 -0.02 0.04 -0.19 -0.04 0.93 0.71 2gg1A8 LEU 388 HD23 -1.28 -0.03 -0.23 -0.04 0.89 -0.70 2gg1A8 ASN 389 H 0.64 0.23 0.20 -0.55 8.53 9.05 2gg1A8 ASN 389 HA 0.18 0.51 0.57 -0.75 4.76 5.26 2gg1A8 ASN 389 HB2 -0.64 -0.12 -0.03 -0.04 2.88 2.04 2gg1A8 ASN 389 HB3 -1.37 0.19 -0.01 -0.04 2.79 1.55 2gg1A8 ASN 389 HD21 -0.13 -0.08 -0.28 -0.04 7.03 6.50 2gg1A8 ASN 389 HD22 -0.04 0.00 -0.10 -0.04 7.74 7.56 2gg1A8 HIS 390 H 0.03 0.25 0.04 -0.55 8.41 8.18 2gg1A8 HIS 390 HA -0.18 0.02 0.47 -0.75 4.63 4.18 2gg1A8 HIS 390 HB2 -1.15 0.14 -0.07 -0.04 3.26 2.14 2gg1A8 HIS 390 HB3 -0.97 -0.06 0.10 -0.04 3.20 2.22 2gg1A8 HIS 390 HD2 -0.19 0.27 -0.11 -0.04 6.97 6.90 2gg1A8 HIS 390 HE1 -0.15 -0.01 0.05 -0.04 7.75 7.60 2gg1A8 GLN 391 H -0.28 0.14 0.14 -0.55 8.47 7.92 2gg1A8 GLN 391 HA 0.06 -0.01 0.58 -0.75 4.36 4.23 2gg1A8 GLN 391 HB2 -0.06 -0.01 0.06 -0.04 2.15 2.10 2gg1A8 GLN 391 HB3 -0.07 0.05 0.02 -0.04 2.02 1.97 2gg1A8 GLN 391 HG2 -0.04 0.10 -0.08 -0.04 2.40 2.34 2gg1A8 GLN 391 HG3 -0.02 -0.21 -0.05 -0.04 2.39 2.07 2gg1A8 GLN 391 HE21 -0.76 0.07 -0.12 -0.04 6.97 6.11 2gg1A8 GLN 391 HE22 -0.48 -0.00 -0.13 -0.04 7.69 7.04 2gg1A8 TRP 392 H 0.15 0.35 0.33 -0.55 7.97 8.26 2gg1A8 TRP 392 HA 0.04 0.09 0.63 -0.75 4.62 4.62 2gg1A8 TRP 392 HB2 -0.05 0.17 -0.03 -0.04 3.23 3.27 2gg1A8 TRP 392 HB3 -0.03 0.06 0.06 -0.04 3.23 3.27 2gg1A8 TRP 392 HD1 -0.07 -0.06 -0.26 -0.04 7.22 6.79 2gg1A8 TRP 392 HE1 -0.15 -0.10 -0.12 -0.04 10.20 9.79 2gg1A8 TRP 392 HE3 -0.10 0.06 0.17 -0.04 7.59 7.68 2gg1A8 TRP 392 HZ2 -0.30 -0.09 0.11 -0.04 7.44 7.12 2gg1A8 TRP 392 HZ3 -0.19 -0.02 0.08 -0.04 7.13 6.97 2gg1A8 TRP 392 HH2 -0.34 -0.03 0.09 -0.04 7.19 6.86 2gg1A8 PHE 393 H -1.37 0.22 0.15 -0.55 8.34 6.79 2gg1A8 PHE 393 HA -0.44 0.10 1.17 -0.75 4.62 4.70 2gg1A8 PHE 393 HB2 -0.37 0.06 -0.00 -0.04 3.15 2.79 2gg1A8 PHE 393 HB3 -0.38 -0.02 0.03 -0.04 3.06 2.65 2gg1A8 PHE 393 HD2 -0.40 -0.02 -0.02 -0.04 7.28 6.80 2gg1A8 PHE 393 HE2 -0.17 0.02 0.03 -0.04 7.38 7.21 2gg1A8 PHE 393 HZ -0.12 0.01 0.04 -0.04 7.32 7.21 2gg1A8 GLN 394 H -0.24 0.60 0.34 -0.55 8.47 8.63 2gg1A8 GLN 394 HA -0.26 0.11 0.83 -0.75 4.36 4.29 2gg1A8 GLN 394 HB2 0.12 0.08 -0.04 -0.04 2.15 2.27 2gg1A8 GLN 394 HB3 0.36 -0.04 -0.08 -0.04 2.02 2.22 2gg1A8 GLN 394 HG2 0.14 -0.04 -0.12 -0.04 2.40 2.34 2gg1A8 GLN 394 HG3 0.01 0.00 0.01 -0.04 2.39 2.37 2gg1A8 GLN 394 HE21 0.04 0.11 -0.48 -0.04 6.97 6.60 2gg1A8 GLN 394 HE22 0.04 -0.08 -0.43 -0.04 7.69 7.18 2gg1A8 LYS 395 H -0.04 0.13 0.12 -0.55 8.42 8.07 2gg1A8 LYS 395 HA -0.01 0.16 0.32 -0.75 4.32 4.03 2gg1A8 LYS 395 HB2 0.01 0.04 0.07 -0.04 1.87 1.95 2gg1A8 LYS 395 HB3 -0.02 0.03 0.05 -0.04 1.79 1.82 2gg1A8 LYS 395 HG2 0.03 0.01 0.06 -0.04 1.46 1.52 2gg1A8 LYS 395 HG3 0.02 0.03 0.05 -0.04 1.46 1.52 2gg1A8 LYS 395 HD2 0.02 0.05 0.09 -0.04 1.69 1.80 2gg1A8 LYS 395 HD3 0.06 -0.09 0.16 -0.04 1.68 1.76 2gg1A8 LYS 395 HE2 0.06 -0.03 0.03 -0.04 2.99 3.01 2gg1A8 LYS 395 HE3 0.04 0.04 0.03 -0.04 2.99 3.06